| SpectraBase Spectrum ID |
9DKfTYQAWz5 |
| Name |
(2R,5S,6S,2E,4E)-Tricarbonyliron[(.eta.(4)2-5)-6-hydroxyocta-2,4-dienal] (R)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetic acid ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H21F3FeO7 |
| InChI |
InChI=1S/C18H21F3O4.3CO.Fe/c1-3-15(22)12-8-5-9-13-25-16(23)17(24-2,18(19,20)21)14-10-6-4-7-11-14;3*1-2;/h4-12,15,22H,3,13H2,1-2H3;;;;/t15-,17+;;;;/m0..../s1 |
| InChIKey |
DGIXRXIDAPNDAO-AGMKCWFWSA-N |
| Molecular Weight |
498.232 g/mol |
| SMILES |
O[C@](C1[Fe]23(C(C3COC([C@@](C(F)(F)F)(c3ccccc3)OC)=O)C12)(C#[O])(C#[O])C#[O])(CC)[H] |
| SPLASH |
splash10-0a9a-5905200000-cd0b6b05dea930957f87 |
| Source of Spectrum |
F-54-15578-2 |
| Synonyms |
[1,1,1-tris(hydroxymethyl)-5-[(1S)-1-hydroxypropyl]-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]methyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate |
| Wiley ID |
810102 |
![(2R,5S,6S,2E,4E)-Tricarbonyliron[(.eta.(4)2-5)-6-hydroxyocta-2,4-dienal] (R)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetic acid ester](/api/spectrum/9DKfTYQAWz5/structure.png?h=300&w=458 "(2R,5S,6S,2E,4E)-Tricarbonyliron[(.eta.(4)2-5)-6-hydroxyocta-2,4-dienal] (R)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetic acid ester")
